(2R)-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-2-phenyl-1-pyrrolidin-1-yl-ethanone

Systemtic Name: (2R)-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-2-phenyl-1-pyrrolidin-1-yl-ethanone Openeye Name: (2R)-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-2-phenyl-1-pyrrolidin-1-yl-ethanone CAS Name: (2R)-2-[[2-(4-morpholin-4-iumylmethyl)-4-quinazolinyl]thio]-2-phenyl-1-(1-pyrrolidinyl)ethanone IUPAC Name: (2R)-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-2-phenyl-1-pyrrolidin-1-ylethanone Traditional Name: (2R)-2-[[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]thio]-2-phenyl-1-pyrrolidino-ethanone Formula: C25H29N4O2S+ MolecularWeight: 449.58836

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C(C2=CC=CC=C2)SC3=NC(=NC4=CC=CC=C43)C[NH+]5CCOCC5

Isomeric SMILES

C1CCN(C1)C(=O)[C@@H](C2=CC=CC=C2)SC3=NC(=NC4=CC=CC=C43)C[NH+]5CCOCC5

InChI

InChI=1S/C25H28N4O2S/c30-25(29-12-6-7-13-29)23(19-8-2-1-3-9-19)32-24-20-10-4-5-11-21(20)26-22(27-24)18-28-14-16-31-17-15-28/h1-5,8-11,23H,6-7,12-18H2/p+1/t23-/m1/s1